HA-718 | 1307740-75-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: HA-718
• 英文别名: 4-butyl-1'-(1',1',1',3',3',3'-hexafluoro-2'-hydroxypropan-2'-yl)-[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one；4-Butyl-11-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-[1,3]dioxolo[4,5-c]phenanthridin-5-one；4-butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-[1,3]dioxolo[4,5-c]phenanthridin-5-one
• CAS: 1307740-75-5
• 化学式: C₂₁H₁₇F₆NO₄
• 分子量: 461.361
• InChiKey: ZXJODVSHXJLGQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,3-亚甲二氧杂环戊烯-4-碘 在 copper(l) iodide 、 palladium diacetate 、 potassium carbonate 、 对甲苯磺酸 、 三乙胺 、 tricyclohexylphosphine tetrafluoroborate 、 L-脯氨酸 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 、 二甲基亚砜 、 甲苯 为溶剂， 反应 54.0h， 生成 HA-718
  参考文献：
  名称：

  ANTI-SARS-COV-2 DRUG

  摘要：

  The present invention relates to an anti-SARS-CoV-2 drug including, as an active ingredient, a compound represented by formula (I): [wherein R 1 is C 1 -C 8 alkyl or the like; and R 2 -R 9 is hydrogen, halogen, hydroxyl, or Q-(C 1 -C 8 alkyl), (Q is O, NH, or S) or the like], or a pharmaceutically acceptable salt thereof.

  公开号：

  US20230192622A1

文献信息

• THERAPEUTIC AGENT FOR HEPATITIS C
  申请人：Kagoshima University

  公开号：EP2532652A1

  公开（公告）日：2012-12-12

  This invention provides a therapeutic agent for hepatitis C comprising, as an active ingredient, a compound having anti-HCV activity useful in treatment of hepatitis C. The therapeutic agent for hepatitis C comprises, as an active ingredient, a compound represented by formula (I) or a pharmaceutically acceptable salt thereof.

  本发明提供了一种丙型肝炎治疗剂，其活性成分包括一种具有治疗丙型肝炎的抗-HCV 活性的化合物。
• Fused heterocyclic amido compounds as anti-hepatitis C virus agents
  作者：Hiroshi Aoyama、Kazuyuki Sugita、Masahiko Nakamura、Atsushi Aoyama、Mohammed T.A. Salim、Mika Okamoto、Masanori Baba、Yuichi Hashimoto

  DOI：10.1016/j.bmc.2011.03.002

  日期：2011.4

  We identified a fused heteroaromatic amido structure based on the phenanthridine skeleton as a superior scaffold for candidate drugs with potent anti-HCV activity. Among the compounds synthesized, a phenanthridine analogue with a 1,3-dioxolyl group (24) possessed the most potent anti-HCV activity (EC50 value: 50 nM), with acceptable cytotoxicity. The structural development and structure-activity relationships of these compounds are described. (C) 2011 Elsevier Ltd. All rights reserved.